N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

C20H19Cl2FN2O2 — CID 108549642

IUPACN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H19Cl2FN2O2/c21-17-6-3-14(12-18(17)22)20(27)25-9-7-16(8-10-25)24-19(26)11-13-1-4-15(23)5-2-13/h1-6,12,16H,7-11H2,(H,24,26)
InChIKeyFYVBMARLOWSTKD-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.10
Rot. Bonds4

About N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 108549642) has the molecular formula C20H19Cl2FN2O2 and a molecular weight of 409.29 g/mol. Its IUPAC name is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID108549642
Molecular FormulaC20H19Cl2FN2O2
Molecular Weight409.29 g/mol
Exact Mass408.08
IUPAC NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H19Cl2FN2O2/c21-17-6-3-14(12-18(17)22)20(27)25-9-7-16(8-10-25)24-19(26)11-13-1-4-15(23)5-2-13/h1-6,12,16H,7-11H2,(H,24,26)
InChIKeyFYVBMARLOWSTKD-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
CID 108555654
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (CID 108549642) is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FYVBMARLOWSTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O2/c21-17-6-3-14(12-18(17)22)20(27)25-9-7-16(8-10-25)24-19(26)11-13-1-4-15(23)5-2-13/h1-6,12,16H,7-11H2,(H,24,26).
What are the key properties of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 409.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 108549642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).